5-[(3,4-dichlorophenyl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole

C13H10Cl2N4OS — CID 42140180

IUPAC5-[(3,4-dichlorophenyl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole
SMILESClc1ccc(CSc2nnnn2Cc2ccco2)cc1Cl
InChIInChI=1S/C13H10Cl2N4OS/c14-11-4-3-9(6-12(11)15)8-21-13-16-17-18-19(13)7-10-2-1-5-20-10/h1-6H,7-8H2
InChIKeyVLPLGJNOYNGKEL-UHFFFAOYSA-N
MW341.22 g/mol
LogP3.91
Rot. Bonds5

About 5-[(3,4-dichlorophenyl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole

5-[(3,4-dichlorophenyl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole (PubChem CID 42140180) has the molecular formula C13H10Cl2N4OS and a molecular weight of 341.22 g/mol. Its IUPAC name is 5-[(3,4-dichlorophenyl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole.

Molecular Properties

Compound Name5-[(3,4-dichlorophenyl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole
PubChem CID42140180
Molecular FormulaC13H10Cl2N4OS
Molecular Weight341.22 g/mol
Exact Mass340.00
IUPAC Name5-[(3,4-dichlorophenyl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole
SMILESClc1ccc(CSc2nnnn2Cc2ccco2)cc1Cl
InChIInChI=1S/C13H10Cl2N4OS/c14-11-4-3-9(6-12(11)15)8-21-13-16-17-18-19(13)7-10-2-1-5-20-10/h1-6H,7-8H2
InChIKeyVLPLGJNOYNGKEL-UHFFFAOYSA-N
XLogP3.91
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.22
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole
CID 47138148
5-(2-chloroprop-2-enylsulfanyl)-1-(furan-2-ylmethyl)tetrazole
CID 47138145
5-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole
CID 18140859
5-[(1-benzylimidazol-2-yl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole
CID 134001576
3-(4-ethylphenyl)-5-[[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 18140820
3-[[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-5-phenyl-1,2-oxazole
CID 17451985
N-(2-chlorophenyl)-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 18140636
2-(2,4-dimethylphenyl)-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-oxazole
CID 24675499
2-[5-[(4-chloro-3-fluorophenyl)methylsulfanyl]tetrazol-1-yl]ethanamine
CID 114012355
5-[[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole
CID 42140787
3-[(3,4-dichlorophenyl)methylsulfanyl]-5-(furan-2-yl)-4-methyl-1,2,4-triazole
CID 936750
methyl 2-[[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]furan-3-carboxylate
CID 31032427

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dichlorophenyl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole?
The IUPAC name of 5-[(3,4-dichlorophenyl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole (CID 42140180) is 5-[(3,4-dichlorophenyl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole.
What is the SMILES notation for 5-[(3,4-dichlorophenyl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole?
The canonical SMILES for 5-[(3,4-dichlorophenyl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole is Clc1ccc(CSc2nnnn2Cc2ccco2)cc1Cl.
What is the InChIKey of 5-[(3,4-dichlorophenyl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole?
The InChIKey is VLPLGJNOYNGKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N4OS/c14-11-4-3-9(6-12(11)15)8-21-13-16-17-18-19(13)7-10-2-1-5-20-10/h1-6H,7-8H2.
What are the key properties of 5-[(3,4-dichlorophenyl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole?
5-[(3,4-dichlorophenyl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole has a molecular weight of 341.22 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dichlorophenyl)methylsulfanyl]-1-(furan-2-ylmethyl)tetrazole is sourced from PubChem (CID 42140180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).